MMsINC Database Search


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MMsINC code: MMs02300716

Type: Neutral
Formula: C₁₅H₁₈NO₂P

SMILES:

P(O)(=O)(C(Cc1ccccc1)CN)c1ccccc1

InChI:

InChI=1/C15H18NO2P/c16-12-15(11-13-7-3-1-4-8-13)19(17,18)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2,(H,17,18)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.807 kcal/mol

Physical Properties
Molecular Weight: 275.288 g/mol	logS: -2.35623	SlogP: 1.08207	Reactive groups: 0

Topological Properties
Globularity: 0.160124	Sterimol/B1: 2.41778	Sterimol/B2: 3.43482	Sterimol/B3: 4.2483
Sterimol/B4: 7.24098	Sterimol/L: 13.514

Surface and Volume Properties
Accessible surface: 489.689	Positive charged surface: 294.819	Negative charged surface: 194.87	Volume: 269.625
Hydrophobic surface: 390.065	Hydrophilic surface: 99.624

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.