MMsINC Database Search


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MMsINC code: MMs03739483

Type: Neutral
Formula: C₁₁H₁₄NO₃P

SMILES:

P(O)(=O)(N)CC1Oc2c(cc(cc2)C)C=C1

InChI:

InChI=1/C11H14NO3P/c1-8-2-5-11-9(6-8)3-4-10(15-11)7-16(12,13)14/h2-6,10H,7H2,1H3,(H3,12,13,14)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=4.77099 kcal/mol

Physical Properties
Molecular Weight: 239.211 g/mol	logS: -2.04442	SlogP: 0.84312	Reactive groups: 0

Topological Properties
Globularity: 0.118389	Sterimol/B1: 2.75766	Sterimol/B2: 3.042	Sterimol/B3: 3.91228
Sterimol/B4: 5.77364	Sterimol/L: 12.5403

Surface and Volume Properties
Accessible surface: 429.691	Positive charged surface: 255.894	Negative charged surface: 173.798	Volume: 217.75
Hydrophobic surface: 277.71	Hydrophilic surface: 151.981

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.