MMsINC Database Search


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MMsINC code: MMs02451340

Type: Neutral
Formula: C₂₅H₂₀Cl₂N₂O

SMILES:

Clc1cc(Cl)cc(C(c2c3c([nH]c2C)cccc3)c2c3c([nH]c2C)cccc3)c1O

InChI:

InChI=1/C25H20Cl2N2O/c1-13-22(16-7-3-5-9-20(16)28-13)24(18-11-15(26)12-19(27)25(18)30)23-14(2)29-21-10-6-4-8-17(21)23/h3-12,24,28-30H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.585 kcal/mol

Physical Properties
Molecular Weight: 435.354 g/mol	logS: -7.14348	SlogP: 7.45864	Reactive groups: 0

Topological Properties
Globularity: 0.540624	Sterimol/B1: 2.3447	Sterimol/B2: 3.79116	Sterimol/B3: 8.45784
Sterimol/B4: 8.69534	Sterimol/L: 12.8232

Surface and Volume Properties
Accessible surface: 633.589	Positive charged surface: 306.41	Negative charged surface: 325.524	Volume: 396.75
Hydrophobic surface: 548.587	Hydrophilic surface: 85.002

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.