MMsINC Database Search


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MMsINC code: MMs01221764

Type: Neutral
Formula: C₁₅H₁₀Cl₂NO₄P

SMILES:

Clc1c2c(nccc2)c(OP(Oc2ccc(Cl)cc2)(O)=O)cc1

InChI:

InChI=1/C15H10Cl2NO4P/c16-10-3-5-11(6-4-10)21-23(19,20)22-14-8-7-13(17)12-2-1-9-18-15(12)14/h1-9H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.6675 kcal/mol

Physical Properties
Molecular Weight: 370.128 g/mol	logS: -4.98204	SlogP: 4.0296	Reactive groups: 0

Topological Properties
Globularity: 0.0414623	Sterimol/B1: 2.73836	Sterimol/B2: 3.27952	Sterimol/B3: 3.63804
Sterimol/B4: 7.06334	Sterimol/L: 16.5129

Surface and Volume Properties
Accessible surface: 555.116	Positive charged surface: 230.729	Negative charged surface: 318.851	Volume: 292.75
Hydrophobic surface: 466.719	Hydrophilic surface: 88.397

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.