MMsINC Database Search


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MMsINC code: MMs02700628

Type: Neutral
Formula: C₁₈H₁₈ClN₂O₂P

SMILES:

Clc1cc2c(N(CP(=O)(C)C)C(=O)CN=C2c2ccccc2)cc1

InChI:

InChI=1/C18H18ClN2O2P/c1-24(2,23)12-21-16-9-8-14(19)10-15(16)18(20-11-17(21)22)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.785 kcal/mol

Physical Properties
Molecular Weight: 360.781 g/mol	logS: -3.74891	SlogP: 3.034	Reactive groups: 0

Topological Properties
Globularity: 0.316298	Sterimol/B1: 2.65325	Sterimol/B2: 3.21671	Sterimol/B3: 7.09134
Sterimol/B4: 8.18844	Sterimol/L: 13.2117

Surface and Volume Properties
Accessible surface: 560.022	Positive charged surface: 303.746	Negative charged surface: 256.276	Volume: 328.5
Hydrophobic surface: 474.471	Hydrophilic surface: 85.551

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.