MMsINC Database Search


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MMsINC code: MMs02306393

Type: Neutral
Formula: C₂₅H₃₀N₂O₂

SMILES:

O(C(C(O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)C)c1ccccc1

InChI:

InChI=1/C25H30N2O2/c1-19(29-24-9-7-6-8-10-24)25(28,20-11-15-22(16-12-20)26(2)3)21-13-17-23(18-14-21)27(4)5/h6-19,28H,1-5H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=169.398 kcal/mol

Physical Properties
Molecular Weight: 390.527 g/mol	logS: -4.95055	SlogP: 4.8335	Reactive groups: 0

Topological Properties
Globularity: 0.163194	Sterimol/B1: 3.23201	Sterimol/B2: 3.61787	Sterimol/B3: 5.4905
Sterimol/B4: 10.2787	Sterimol/L: 16.1281

Surface and Volume Properties
Accessible surface: 688.5	Positive charged surface: 507.477	Negative charged surface: 181.022	Volume: 407.75
Hydrophobic surface: 645.294	Hydrophilic surface: 43.206

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

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Ions/Tautomers related molecules: no related molecules available.